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Details

Stereochemistry ACHIRAL
Molecular Formula C16H10O8
Molecular Weight 330.2458
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4′-Di-O-methylellagic acid

SMILES

COC1=CC2=C3C(OC(=O)C4=CC(O)=C(OC)C(OC2=O)=C34)=C1O

InChI

InChIKey=SUBZWRYOAOVYOC-UHFFFAOYSA-N
InChI=1S/C16H10O8/c1-21-8-4-6-9-10-5(15(19)23-13(9)11(8)18)3-7(17)12(22-2)14(10)24-16(6)20/h3-4,17-18H,1-2H3

HIDE SMILES / InChI

Molecular Formula C16H10O8
Molecular Weight 330.2458
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:33:00 GMT 2023
Edited
by admin
on Sat Dec 16 15:33:00 GMT 2023
Record UNII
2E2EZ9Z3BH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4′-Di-O-methylellagic acid
Common Name English
[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2,8-dihydroxy-3,7-dimethoxy-
Systematic Name English
6,14-Dimethoxy-7,13-bis(oxidanyl)-2,9-dioxatetracyclo(6.6.2.04,16.011,15)hexadeca-1(14),1(14),4(16),5,7,11(15),12-hexaene-3,10-dione
Systematic Name English
2,8-Dihydroxy-3,7-dimethoxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20206108
Created by admin on Sat Dec 16 15:33:00 GMT 2023 , Edited by admin on Sat Dec 16 15:33:00 GMT 2023
PRIMARY
PUBCHEM
5491816
Created by admin on Sat Dec 16 15:33:00 GMT 2023 , Edited by admin on Sat Dec 16 15:33:00 GMT 2023
PRIMARY
FDA UNII
2E2EZ9Z3BH
Created by admin on Sat Dec 16 15:33:00 GMT 2023 , Edited by admin on Sat Dec 16 15:33:00 GMT 2023
PRIMARY
CAS
57499-59-9
Created by admin on Sat Dec 16 15:33:00 GMT 2023 , Edited by admin on Sat Dec 16 15:33:00 GMT 2023
PRIMARY